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5-(Bromomethyl)-2-nitropyridine - ≥97%, high purity , CAS No.448968-52-3

COA

Grade & Purity:

≥97%

Cas Number: 448968-52-3
Molecular Weight: 217.02
PubChem CID: 58122257

In stock

Item Number

N734305

Grouped product items
SKU	Size	Availability	Price	Qty
N734305-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Pyridines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Alkyl bromides Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Pyridine - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-(bromomethyl)-2-nitropyridine
INCHI	InChI=1S/C6H5BrN2O2/c7-3-5-1-2-6(8-4-5)9(10)11/h1-2,4H,3H2
InChIKey	RWMMMFKJDQNPTR-UHFFFAOYSA-N
Smiles	C1=CC(=NC=C1CBr)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=NC=C1CBr)[N+](=O)[O-]
PubChem CID	58122257
Molecular Weight	217.02

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.020 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	215.953 Da
Monoisotopic Mass	215.953 Da
Topological Polar Surface Area	58.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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